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Phenol, 2-sec-butyl-4,6-dinitro-, compd. with triethylamine (1:1)
SpectraBase Compound ID 4rECgyExSvS
InChI InChI=1S/C10H12N2O5.C6H15N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-4-7(5-2)6-3/h4-6,13H,3H2,1-2H3;4-6H2,1-3H3
InChIKey WXLFZVLKTRXDOP-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C16H27N3O5
Exact Mass 341.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPElsjHtSsC
Name Phenol, 2-sec-butyl-4,6-dinitro-, compd. with triethylamine (1:1)
Alternate Name(s) 2-sec-butyl-4,6-dinitrophenol, triethylamine salt N,N-diethylethanaminium 2-sec-butyl-4,6-dinitrobenzenolate
CAS Registry Number 31931-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27N3O5
InChI InChI=1S/C10H12N2O5.C6H15N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-4-7(5-2)6-3/h4-6,13H,3H2,1-2H3;4-6H2,1-3H3
InChIKey WXLFZVLKTRXDOP-UHFFFAOYSA-N
Molecular Weight 341.408 g/mol
SMILES [NH+](CC)(CC)CC.c1(N(=O)=O)c(c(C(CC)C)cc(N(=O)=O)c1)[O-]
SPLASH splash10-016r-9200000000-495f6a4fbf5609b3d8c8
Source of Spectrum W5-30325-0-0
Wiley ID 1335808